6-fluoro-5-phenoxy-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine

C18H12FN3O — CID 66858405

IUPAC6-fluoro-5-phenoxy-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc2nnc(-c3ccccc3)n2c1Oc1ccccc1
InChIInChI=1S/C18H12FN3O/c19-15-11-12-16-20-21-17(13-7-3-1-4-8-13)22(16)18(15)23-14-9-5-2-6-10-14/h1-12H
InChIKeyVVXFRJVFPZNTIY-UHFFFAOYSA-N
MW305.31 g/mol
LogP4.33
Rot. Bonds3

About 6-fluoro-5-phenoxy-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine

6-fluoro-5-phenoxy-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 66858405) has the molecular formula C18H12FN3O and a molecular weight of 305.31 g/mol. Its IUPAC name is 6-fluoro-5-phenoxy-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-fluoro-5-phenoxy-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID66858405
Molecular FormulaC18H12FN3O
Molecular Weight305.31 g/mol
Exact Mass305.10
IUPAC Name6-fluoro-5-phenoxy-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc2nnc(-c3ccccc3)n2c1Oc1ccccc1
InChIInChI=1S/C18H12FN3O/c19-15-11-12-16-20-21-17(13-7-3-1-4-8-13)22(16)18(15)23-14-9-5-2-6-10-14/h1-12H
InChIKeyVVXFRJVFPZNTIY-UHFFFAOYSA-N
XLogP4.33
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-Bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 134179263
US11419874, Example 5
CID 110173727
6-Methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 754096
6-Methoxy-3-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazine
CID 2775307
3-(5-Ethoxy-2-fluorophenyl)-12-methoxy-5-methyl-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 46199167
6-(4-(Trifluoromethoxy)phenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 50905973
5-{4-[(2-Fluorobenzyl)oxy]phenyl}-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 8057488
6-Phenoxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 11336672
2,7-Bis(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 2223358
2-[4-(2-Methoxyethoxy)phenyl]-3-phenyl-6-propoxyimidazo[1,2-b]pyridazine
CID 11269675
6-(4-Methoxyphenyl)-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
CID 69670998
6-(4-Fluorophenoxy)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 2727440

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-phenoxy-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-fluoro-5-phenoxy-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine (CID 66858405) is 6-fluoro-5-phenoxy-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-fluoro-5-phenoxy-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-fluoro-5-phenoxy-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine is Fc1ccc2nnc(-c3ccccc3)n2c1Oc1ccccc1.
What is the InChIKey of 6-fluoro-5-phenoxy-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VVXFRJVFPZNTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O/c19-15-11-12-16-20-21-17(13-7-3-1-4-8-13)22(16)18(15)23-14-9-5-2-6-10-14/h1-12H.
What are the key properties of 6-fluoro-5-phenoxy-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine?
6-fluoro-5-phenoxy-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 305.31 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-phenoxy-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 66858405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).